Re: [Open Babel] Error in double bond detection

2013-07-16 Thread S.L. Chan
uot;openbabel-discuss@lists.sourceforge.net" > >Sent: Tuesday, July 16, 2013 5:40 PM >Subject: Re: [Open Babel] Error in double bond detection > > > >Radka, > > >PDB files simply don't have bonding information. There is just no  >way to be absolutely sur

Re: [Open Babel] Error in double bond detection

2013-07-16 Thread S.L. Chan
Ling   > > From: radka >To: openbabel-discuss@lists.sourceforge.net >Sent: Tuesday, July 16, 2013 2:00 AM >Subject: [Open Babel] Error in double bond detection > > >Please, can you help me with the following problem?: > >I have this PDB

[Open Babel] Error in double bond detection

2013-07-16 Thread radka
Please, can you help me with the following problem?: I have this PDB file (sugar from Protein Data Bank): HETATM 3781 C1 MAN C1129 35.524 5.379 57.298 1.00 26.66 C HETATM 3782 C2 MAN C1129 34.930 6.750 56.924 1.00 26.33 C HETATM 3783 C3 MAN C1129